3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)benzamide CAS Name: 3-bromo-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)benzamide Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN2O3S/c17-11-3-1-2-10(8-11)15(20)19-16(23)18-12-4-5-13-14(9-12)22-7-6-21-13/h1-5,8-9H,6-7H2,(H2,18,19,20,23)